Crystallography Open Database

Information card for entry 7053089

Preview

Coordinates	7053089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H79 Fe3 N28 O14 Th2
Calculated formula	C48 H79 Fe3 N28 O14 Th2
Title of publication	Multi-edge X-ray absorption spectroscopy of thorium, neptunium and plutonium hexacyanoferrate compounds
Authors of publication	Dumas, Thomas; Charbonnel, Marie Christine; Charushnikova, Iraida A.; Conradson, Steven D.; Fillaux, Clara; Hennig, Christoph; Moisy, Philippe; Petit, Sébastien; Scheinost, Andreas C.; Shuh, David K.; Tyliszczak, Tolek; Auwer, Christophe Den
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	10
Pages of publication	3003
a	9.5896 ± 0.0001 Å
b	13.9112 ± 0.0002 Å
c	16.3886 ± 0.0003 Å
α	109.382 ± 0.001°
β	94.1999 ± 0.0011°
γ	107.952 ± 0.0009°
Cell volume	1924.07 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.095
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053089.cif
88925	2013-10-09	cif/ Adding structures of 7053089, 7053090 via cif-deposit CGI script.	7053089.cif